SCHEMBL14737010

SCHEMBL14737010

COc1ccc(-c2cccc3c2COC3=O)c(OCC(C)(C)OC(=O)C2CCCC2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.38
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
MAOB P27338 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14737140 0.99 PDE4D (0.37) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14750375 0.98 PDE4D (0.38) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14737793 0.96 PDE4D (0.39) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14750376 0.93 PDE4D (0.37) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2588428 0.88 HDAC4 (0.38) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14734767 0.88 PDE4D (0.37) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL2591678 0.86 ALDH1A1 (0.44) PDE4DHDAC4HDAC2HDAC8KDM4E
SCHEMBL14737342 0.86 ALDH1A1 (0.44) PDE4DHDAC4HDAC2HDAC8KDM4E
SCHEMBL14734741 0.85 PDE4D (0.36) PDE4DHDAC4HDAC2HDAC8MAOB
SCHEMBL14737791 0.85 KDR (0.34) HDAC4HDAC2HDAC8KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A PDE4D 10/4885HDAC4 105/4885HDAC2 77/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.